3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene

C46H34O — CID 59776035

IUPAC3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2c1c1c(c3occc23)-c2ccc(-c3cccc4ccccc34)cc2C1(C)C
InChIInChI=1S/C46H34O/c1-45(2)38-25-29(33-17-9-13-27-11-5-7-15-31(27)33)19-21-35(38)40-37-23-24-47-44(37)41-36-22-20-30(26-39(36)46(3,4)43(41)42(40)45)34-18-10-14-28-12-6-8-16-32(28)34/h5-26H,1-4H3
InChIKeyDAHYWPOBZRERPP-UHFFFAOYSA-N
MW602.78 g/mol
LogP12.69
Rot. Bonds2

About 3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene

3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene (PubChem CID 59776035) has the molecular formula C46H34O and a molecular weight of 602.78 g/mol. Its IUPAC name is 3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene.

Molecular Properties

Compound Name3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene
PubChem CID59776035
Molecular FormulaC46H34O
Molecular Weight602.78 g/mol
Exact Mass602.26
IUPAC Name3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2c1c1c(c3occc23)-c2ccc(-c3cccc4ccccc34)cc2C1(C)C
InChIInChI=1S/C46H34O/c1-45(2)38-25-29(33-17-9-13-27-11-5-7-15-31(27)33)19-21-35(38)40-37-23-24-47-44(37)41-36-22-20-30(26-39(36)46(3,4)43(41)42(40)45)34-18-10-14-28-12-6-8-16-32(28)34/h5-26H,1-4H3
InChIKeyDAHYWPOBZRERPP-UHFFFAOYSA-N
XLogP12.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene with MolForge

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Related Compounds

3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182253
21,21-dimethyl-18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 158807784
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 171743014
9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 130213201
1,9,9-trimethyl-7-naphthalen-1-ylfluorene
CID 156896552
11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 144583230
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
3,3,24,24-tetramethyl-6,21-dinaphthalen-2-ylhexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181698
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
18,18,21,21-tetramethyl-24-pyren-1-yl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 139476744

Frequently Asked Questions

What is the IUPAC name of 3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene?
The IUPAC name of 3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene (CID 59776035) is 3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene.
What is the SMILES notation for 3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene?
The canonical SMILES for 3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene is CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2c1c1c(c3occc23)-c2ccc(-c3cccc4ccccc34)cc2C1(C)C.
What is the InChIKey of 3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene?
The InChIKey is DAHYWPOBZRERPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34O/c1-45(2)38-25-29(33-17-9-13-27-11-5-7-15-31(27)33)19-21-35(38)40-37-23-24-47-44(37)41-36-22-20-30(26-39(36)46(3,4)43(41)42(40)45)34-18-10-14-28-12-6-8-16-32(28)34/h5-26H,1-4H3.
What are the key properties of 3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene?
3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene has a molecular weight of 602.78 g/mol, XLogP of 12.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,23,23-tetramethyl-6,20-dinaphthalen-1-yl-12-oxahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,13,15,17(22),18,20-decaene is sourced from PubChem (CID 59776035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).